5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile

C8H5F3N4 — CID 165381271

IUPAC5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile
SMILESC=C(c1nc(N)cnc1C#N)C(F)(F)F
InChIInChI=1S/C8H5F3N4/c1-4(8(9,10)11)7-5(2-12)14-3-6(13)15-7/h3H,1H2,(H2,13,15)
InChIKeyBFXHAPVGHAHIGQ-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.51
Rot. Bonds1

About 5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile

5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile (PubChem CID 165381271) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile
PubChem CID165381271
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile
SMILESC=C(c1nc(N)cnc1C#N)C(F)(F)F
InChIInChI=1S/C8H5F3N4/c1-4(8(9,10)11)7-5(2-12)14-3-6(13)15-7/h3H,1H2,(H2,13,15)
InChIKeyBFXHAPVGHAHIGQ-UHFFFAOYSA-N
XLogP1.51
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile (CID 165381271) is 5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile is C=C(c1nc(N)cnc1C#N)C(F)(F)F.
What is the InChIKey of 5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile?
The InChIKey is BFXHAPVGHAHIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c1-4(8(9,10)11)7-5(2-12)14-3-6(13)15-7/h3H,1H2,(H2,13,15).
What are the key properties of 5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile?
5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile has a molecular weight of 214.15 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 165381271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).